boric acid;4-tert-butylcyclohexene

C10H21BO3 — CID 161132440

IUPACboric acid;4-tert-butylcyclohexene
SMILESCC(C)(C)C1CC=CCC1.OB(O)O
InChIInChI=1S/C10H18.BH3O3/c1-10(2,3)9-7-5-4-6-8-9;2-1(3)4/h4-5,9H,6-8H2,1-3H3;2-4H
InChIKeyUMJHGSKXTXRYGN-UHFFFAOYSA-N
MW200.09 g/mol
LogP1.34
Rot. Bonds

About boric acid;4-tert-butylcyclohexene

boric acid;4-tert-butylcyclohexene (PubChem CID 161132440) has the molecular formula C10H21BO3 and a molecular weight of 200.09 g/mol. Its IUPAC name is boric acid;4-tert-butylcyclohexene.

Molecular Properties

Compound Nameboric acid;4-tert-butylcyclohexene
PubChem CID161132440
Molecular FormulaC10H21BO3
Molecular Weight200.09 g/mol
Exact Mass200.16
IUPAC Nameboric acid;4-tert-butylcyclohexene
SMILESCC(C)(C)C1CC=CCC1.OB(O)O
InChIInChI=1S/C10H18.BH3O3/c1-10(2,3)9-7-5-4-6-8-9;2-1(3)4/h4-5,9H,6-8H2,1-3H3;2-4H
InChIKeyUMJHGSKXTXRYGN-UHFFFAOYSA-N
XLogP1.34
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-1,2,3,3a,4,5,6,6a-octahydropentalene;4-tert-butylcyclohexene
CID 167642052
4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene
CID 163646456
1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine
CID 163749206
11-(2,3-dimethylbutan-2-yl)-4-methylcyclotridecene
CID 123568593
1-[(4Z)-cyclooct-4-en-1-yl]-3,3-dimethylbutan-1-one
CID 58281125
(1S)-6-tert-butylcyclohex-2-en-1-ol
CID 102352565
1-[(1R)-cyclohex-3-en-1-yl]ethanone
CID 15562643
2-(cyclohex-3-ene-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467873
CID 171375076
CID 171375076
4-(3,3-dimethylbutan-2-yloxy)cyclohexene
CID 19379319
1-cyclohex-3-en-1-yl-3-methylpenta-1,4-dien-3-ol
CID 156633828
3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 106185997

Frequently Asked Questions

What is the IUPAC name of boric acid;4-tert-butylcyclohexene?
The IUPAC name of boric acid;4-tert-butylcyclohexene (CID 161132440) is boric acid;4-tert-butylcyclohexene.
What is the SMILES notation for boric acid;4-tert-butylcyclohexene?
The canonical SMILES for boric acid;4-tert-butylcyclohexene is CC(C)(C)C1CC=CCC1.OB(O)O.
What is the InChIKey of boric acid;4-tert-butylcyclohexene?
The InChIKey is UMJHGSKXTXRYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.BH3O3/c1-10(2,3)9-7-5-4-6-8-9;2-1(3)4/h4-5,9H,6-8H2,1-3H3;2-4H.
What are the key properties of boric acid;4-tert-butylcyclohexene?
boric acid;4-tert-butylcyclohexene has a molecular weight of 200.09 g/mol, XLogP of 1.34, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;4-tert-butylcyclohexene is sourced from PubChem (CID 161132440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).